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Information card for entry 1576181
Preview
| Coordinates | 1576181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H48 Ag Bi Br8 N4 |
|---|---|
| Calculated formula | C20 H48 Ag Bi Br8 N4 |
| Title of publication | Two-dimensional Lead-Free Double Perovskite Ferroelastic with Dynamic Thermochromism |
| Authors of publication | Su, Chang-Yuan; Yi, Heng-Guan; Ni, Hao-Fei; Du, Guowei; Xia, San-Qiang; Liu, Zunqi; Zhang, Zhi-Xu; Fu, Da-Wei |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 8.1901 ± 0.0014 Å |
| b | 8.2705 ± 0.0014 Å |
| c | 26.638 ± 0.005 Å |
| α | 90° |
| β | 98.04 ± 0.006° |
| γ | 90° |
| Cell volume | 1786.6 ± 0.5 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.139 |
| Residual factor for significantly intense reflections | 0.1133 |
| Weighted residual factors for significantly intense reflections | 0.2884 |
| Weighted residual factors for all reflections included in the refinement | 0.2974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.253 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303161 (current) | 2025-11-05 | cif/ Adding structures of 1576181, 1576182, 1576183, 1576184 via cif-deposit CGI script. |
1576181.cif |
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Users of the data should acknowledge the original authors of the
structural data.